N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide

C24H24N4O3S2 — CID 50839588

IUPACN-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2csc3nc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)cn23)CC1
InChIInChI=1S/C24H24N4O3S2/c1-17-10-12-27(13-11-17)23(29)22-16-32-24-25-21(15-28(22)24)18-6-5-7-19(14-18)26-33(30,31)20-8-3-2-4-9-20/h2-9,14-17,26H,10-13H2,1H3
InChIKeyKRGFUMKVBMFPAT-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.74
Rot. Bonds5

About N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide

N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide (PubChem CID 50839588) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
PubChem CID50839588
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2csc3nc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)cn23)CC1
InChIInChI=1S/C24H24N4O3S2/c1-17-10-12-27(13-11-17)23(29)22-16-32-24-25-21(15-28(22)24)18-6-5-7-19(14-18)26-33(30,31)20-8-3-2-4-9-20/h2-9,14-17,26H,10-13H2,1H3
InChIKeyKRGFUMKVBMFPAT-UHFFFAOYSA-N
XLogP4.74
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide (CID 50839588) is N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide is CC1CCN(C(=O)c2csc3nc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)cn23)CC1.
What is the InChIKey of N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
The InChIKey is KRGFUMKVBMFPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-17-10-12-27(13-11-17)23(29)22-16-32-24-25-21(15-28(22)24)18-6-5-7-19(14-18)26-33(30,31)20-8-3-2-4-9-20/h2-9,14-17,26H,10-13H2,1H3.
What are the key properties of N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide?
N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide has a molecular weight of 480.62 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 50839588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).